5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione

C9H13NO3 — CID 164648047

IUPAC5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione
SMILESCC1(C2CCCO2)NC(=O)CC1=O
InChIInChI=1S/C9H13NO3/c1-9(7-3-2-4-13-7)6(11)5-8(12)10-9/h7H,2-5H2,1H3,(H,10,12)
InChIKeyJKYBDUSAXIMXNY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.01
Rot. Bonds1

About 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione

5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione (PubChem CID 164648047) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione
PubChem CID164648047
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione
SMILESCC1(C2CCCO2)NC(=O)CC1=O
InChIInChI=1S/C9H13NO3/c1-9(7-3-2-4-13-7)6(11)5-8(12)10-9/h7H,2-5H2,1H3,(H,10,12)
InChIKeyJKYBDUSAXIMXNY-UHFFFAOYSA-N
XLogP0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 130577831
5,5-dimethylpyrrolidine-2,4-dione
CID 13346709
2-(1-methylcyclohexyl)oxolane
CID 23594551
3-methyl-4,5-dioxo-3-(oxolan-2-yl)cyclohexene-1,2-dicarboxylic acid
CID 70256880
4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 165470768
trans-(3R,5R)-2,3-dimethyl-2-(oxolan-2-yl)-5-prop-1-en-2-ylcyclohexan-1-one
CID 102122538
(4aS,9aR)-2,3,4,4a,6,7,9,9a-octahydropyrano[2,3-b]azepine-5,8-dione
CID 130913931
(1S,6S)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one
CID 92859662
2-(1,2,2-trimethylcyclooctyl)oxocane
CID 174920418
3-methyl-1-(oxolan-2-yl)piperazin-2-one
CID 115101916
2-(1,2-dimethylcyclopropyl)oxane
CID 57035000
5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
CID 163515040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione (CID 164648047) is 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione is CC1(C2CCCO2)NC(=O)CC1=O.
What is the InChIKey of 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione?
The InChIKey is JKYBDUSAXIMXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(7-3-2-4-13-7)6(11)5-8(12)10-9/h7H,2-5H2,1H3,(H,10,12).
What are the key properties of 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione?
5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione is sourced from PubChem (CID 164648047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).